benzyl [3-(4-chlorophenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetate
Chemical Structure Depiction of
benzyl [3-(4-chlorophenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetate
benzyl [3-(4-chlorophenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetate
Compound characteristics
| Compound ID: | C200-0491 |
| Compound Name: | benzyl [3-(4-chlorophenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetate |
| Molecular Weight: | 454.93 |
| Molecular Formula: | C23 H19 Cl N2 O4 S |
| Smiles: | Cc1c2C(N(C(N(CC(=O)OCc3ccccc3)c2sc1C)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.895 |
| logD: | 4.895 |
| logSw: | -5.1988 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.641 |
| InChI Key: | VTINSFPEFKUYBP-UHFFFAOYSA-N |